%chk=000206287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206287

0 1
S 4.585137 -1.498408 -1.015688
S 1.114950 2.872459 1.852654
O 3.884824 -1.915844 -2.213289
O 5.949853 -1.017518 -1.067453
N -4.330866 -1.520399 0.318442
N -6.950974 -2.707034 -0.039548
N 4.580800 -2.853466 0.053539
C -4.722214 -2.156834 -0.983280
C -5.025739 -2.217407 1.451920
C -2.843176 -1.548574 0.506796
C -6.247319 -2.031264 -1.173646
C -6.551848 -2.093574 1.265101
C -2.237135 -0.350501 -0.250543
C -0.008008 0.832075 -0.087732
C -0.754014 -0.288735 -0.088471
C 1.452663 0.754381 0.140943
C -0.550961 2.199366 -0.226620
C 2.068418 1.636786 1.044643
C 2.250098 -0.201488 -0.507964
C 3.612103 -0.291809 -0.216363
C -0.127989 3.207331 0.654385
C 3.432046 1.561614 1.331948
C 4.205399 0.587696 0.693260
C -1.482465 2.532114 -1.223232
C -0.651182 4.499063 0.601003
C -2.010241 3.824601 -1.288891
C -1.609241 4.802337 -0.371613
C 5.330267 -2.675658 1.317349
C 3.278857 -3.539748 0.209671
H -4.428344 -3.227967 -1.043986
H -4.201674 -1.621772 -1.805205
H -4.731525 -1.720240 2.400487
H -4.748155 -3.291037 1.533088
H -2.377970 -2.499572 0.171449
H -2.608436 -1.445498 1.589226
H -6.519896 -0.957985 -1.276054
H -6.547181 -2.544116 -2.112682
H -7.070206 -2.650816 2.074717
H -6.847871 -1.024901 1.351103
H -2.491266 -0.414431 -1.330848
H -2.729925 0.582417 0.107013
H -7.965106 -2.607245 -0.163553
H -0.270832 -1.261274 0.046255
H 1.801843 -0.866321 -1.255956
H 3.896770 2.260268 2.029165
H 5.281432 0.534102 0.891552
H -1.789049 1.782568 -1.951958
H -0.316860 5.268526 1.297865
H -2.738435 4.071916 -2.060919
H -2.032700 5.804374 -0.422152
H 6.328487 -2.249232 1.093636
H 5.510107 -3.661970 1.781901
H 4.823236 -2.039402 2.059781
H 2.846924 -3.734118 -0.792098
H 2.546265 -2.988099 0.819630
H 3.435721 -4.527938 0.678522


%chk=000206287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206287

0 1
S 4.560935 -1.659926 -0.997214
S 1.232178 3.113800 1.877080
O 3.730871 -2.109487 -2.321462
O 6.120879 -1.204180 -1.023061
N -4.301627 -1.567245 0.302254
N -6.817321 -2.924434 0.002734
N 4.511216 -3.174205 0.149343
C -4.718787 -2.135843 -1.006652
C -4.897660 -2.344136 1.422498
C -2.835036 -1.425740 0.436635
C -6.254160 -2.147581 -1.122162
C -6.432804 -2.350946 1.310704
C -2.269516 -0.254292 -0.407093
C -0.013596 1.009345 -0.114159
C -0.774880 -0.128163 -0.233180
C 1.453570 0.883432 0.141773
C -0.559912 2.394048 -0.210672
C 2.135157 1.777933 1.017225
C 2.219043 -0.141329 -0.478385
C 3.580053 -0.265554 -0.170414
C -0.082755 3.434076 0.633936
C 3.518831 1.647551 1.287373
C 4.262616 0.606161 0.696897
C -1.549066 2.738865 -1.174182
C -0.608031 4.743363 0.569606
C -2.082365 4.041404 -1.248045
C -1.622569 5.044966 -0.363937
C 5.210193 -2.890288 1.423491
C 3.128177 -3.685616 0.278405
H -4.340730 -3.182439 -1.130942
H -4.300557 -1.519936 -1.823176
H -4.598436 -1.870981 2.376481
H -4.537036 -3.403567 1.426116
H -2.295714 -2.371604 0.163296
H -2.610891 -1.225537 1.501805
H -6.608093 -1.087215 -1.136647
H -6.546293 -2.625754 -2.075170
H -6.857314 -2.973892 2.119357
H -6.794569 -1.302008 1.446989
H -2.505631 -0.433749 -1.477957
H -2.793860 0.674685 -0.122171
H -7.829379 -3.078655 -0.084809
H -0.246259 -1.089425 -0.132884
H 1.763811 -0.804437 -1.221594
H 4.014629 2.368675 1.944826
H 5.339806 0.504416 0.860783
H -1.880437 1.976457 -1.885098
H -0.215702 5.522369 1.231638
H -2.845736 4.275312 -1.997359
H -2.030000 6.060117 -0.415005
H 6.175131 -2.405619 1.200325
H 5.421014 -3.862486 1.904959
H 4.624516 -2.263016 2.133398
H 2.675991 -3.743826 -0.725583
H 2.481094 -3.080040 0.953618
H 3.194404 -4.712025 0.682765


